水溶液中染料聚醚衍生物聚集行为的MesoDyn模拟

摘要

The aggregation behaviors of dye-polyether derivatives in aqueous solution were simulated by MesoDyn simulation, and the influences of molecular structure and volume fraction of dye-polyether derivatives on their microphase behavior were discussed. The simulation results showed that the dye-polyether derivatives could form different morphologies at different volume fractions and three aggregation types were observed: spherical micelle, worm-like micelle and micellar cluster. The formation of micelle can be divided into four stages: the induction stage, pre-formation stage, evolution stage and the final equilibrium stage. The increase of the initial concentration of dye-polyether derivatives can shorten the induction time and increase the order parameter after equilibrium stage.%用MesoDyn模拟方法,研究了染料聚醚衍生物在水溶液中的聚集行为,讨论了染料聚醚衍生物结构和体积分数对其微相行为的影响.模拟结果表明,不同体积分数下,染料聚醚衍生物可在水溶液中形成3种聚集体:球状胶束、蠕虫状胶束、胶束簇；其胶束形成过程可分为诱导阶段、开始形成阶段、演化阶段和平衡稳定阶段；提高染料聚醚衍生物的初始体积分数可缩短形成胶束的诱导时间,并提高平衡后的有序参数.